SCHEMBL21078342

SCHEMBL21078342

CCC(=O)[C@H]1CC[C@H](C#N)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
DPP4 P27487 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19014326 0.83 ALDH1A1 (0.30)
Propionic Acid SCHEMBL27531858 0.82 FFAR3 (0.48) KDM2BDPP4
SCHEMBL10437854 0.81 NLRP3 (0.36)
SCHEMBL256670 0.81
SCHEMBL17888406 0.77 KDM2B (0.33) KDM2B
SCHEMBL10523843 0.77 KDM2B (0.33) KDM2B
SCHEMBL15733203 0.77 KDM2B (0.33) KDM2B
SCHEMBL2587904 0.76 MAPT (0.47)
SCHEMBL2583107 0.76 MAPT (0.47)
SCHEMBL2583112 0.76 MAPT (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed